2,4-ditert-butyl-6-[[(1R)-1-phenylethyl]iminomethyl]phenol

C23H31NO — CID 136703897

IUPAC2,4-ditert-butyl-6-[[(1R)-1-phenylethyl]iminomethyl]phenol
SMILESC[C@@H](/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O)c1ccccc1
InChIInChI=1S/C23H31NO/c1-16(17-11-9-8-10-12-17)24-15-18-13-19(22(2,3)4)14-20(21(18)25)23(5,6)7/h8-16,25H,1-7H3/b24-15+/t16-/m1/s1
InChIKeyCZVGRCMYFSAJHK-DTVDJLOLSA-N
MW337.51 g/mol
LogP6.17
Rot. Bonds3

About 2,4-ditert-butyl-6-[[(1R)-1-phenylethyl]iminomethyl]phenol

2,4-ditert-butyl-6-[[(1R)-1-phenylethyl]iminomethyl]phenol (PubChem CID 136703897) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[[(1R)-1-phenylethyl]iminomethyl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[[(1R)-1-phenylethyl]iminomethyl]phenol
PubChem CID136703897
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name2,4-ditert-butyl-6-[[(1R)-1-phenylethyl]iminomethyl]phenol
SMILESC[C@@H](/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O)c1ccccc1
InChIInChI=1S/C23H31NO/c1-16(17-11-9-8-10-12-17)24-15-18-13-19(22(2,3)4)14-20(21(18)25)23(5,6)7/h8-16,25H,1-7H3/b24-15+/t16-/m1/s1
InChIKeyCZVGRCMYFSAJHK-DTVDJLOLSA-N
XLogP6.17
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2,4-ditert-butyl-6-[[(1R)-1-phenylethyl]iminomethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[[(1R)-1-phenylethyl]iminomethyl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[[(1R)-1-phenylethyl]iminomethyl]phenol (CID 136703897) is 2,4-ditert-butyl-6-[[(1R)-1-phenylethyl]iminomethyl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[[(1R)-1-phenylethyl]iminomethyl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[[(1R)-1-phenylethyl]iminomethyl]phenol is C[C@@H](/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O)c1ccccc1.
What is the InChIKey of 2,4-ditert-butyl-6-[[(1R)-1-phenylethyl]iminomethyl]phenol?
The InChIKey is CZVGRCMYFSAJHK-DTVDJLOLSA-N. The full InChI is InChI=1S/C23H31NO/c1-16(17-11-9-8-10-12-17)24-15-18-13-19(22(2,3)4)14-20(21(18)25)23(5,6)7/h8-16,25H,1-7H3/b24-15+/t16-/m1/s1.
What are the key properties of 2,4-ditert-butyl-6-[[(1R)-1-phenylethyl]iminomethyl]phenol?
2,4-ditert-butyl-6-[[(1R)-1-phenylethyl]iminomethyl]phenol has a molecular weight of 337.51 g/mol, XLogP of 6.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[[(1R)-1-phenylethyl]iminomethyl]phenol is sourced from PubChem (CID 136703897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).